N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

C23H26ClN5O4 — CID 38034009

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1Cl
InChIInChI=1S/C23H26ClN5O4/c1-5-28(6-2)21(30)14-33-20-11-10-16(12-19(20)24)25-23(31)22-15(3)29(27-26-22)17-8-7-9-18(13-17)32-4/h7-13H,5-6,14H2,1-4H3,(H,25,31)
InChIKeyGNLGDEKNLTXKRH-UHFFFAOYSA-N
MW471.95 g/mol
LogP3.74
Rot. Bonds9

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 38034009) has the molecular formula C23H26ClN5O4 and a molecular weight of 471.95 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID38034009
Molecular FormulaC23H26ClN5O4
Molecular Weight471.95 g/mol
Exact Mass471.17
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1Cl
InChIInChI=1S/C23H26ClN5O4/c1-5-28(6-2)21(30)14-33-20-11-10-16(12-19(20)24)25-23(31)22-15(3)29(27-26-22)17-8-7-9-18(13-17)32-4/h7-13H,5-6,14H2,1-4H3,(H,25,31)
InChIKeyGNLGDEKNLTXKRH-UHFFFAOYSA-N
XLogP3.74
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55725083
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
tert-butyl N-[2-methoxy-5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl]carbamate
CID 55654521
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 38034009) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCN(CC)C(=O)COc1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is GNLGDEKNLTXKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O4/c1-5-28(6-2)21(30)14-33-20-11-10-16(12-19(20)24)25-23(31)22-15(3)29(27-26-22)17-8-7-9-18(13-17)32-4/h7-13H,5-6,14H2,1-4H3,(H,25,31).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 471.95 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 38034009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).